(2R)-1-(dimethylamino)-8-phenyloctan-2-ol

C16H27NO — CID 71463402

IUPAC(2R)-1-(dimethylamino)-8-phenyloctan-2-ol
SMILESCN(C)C[C@H](O)CCCCCCc1ccccc1
InChIInChI=1S/C16H27NO/c1-17(2)14-16(18)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,16,18H,3-4,6,9-10,13-14H2,1-2H3/t16-/m1/s1
InChIKeyWAASHIILHROFCW-MRXNPFEDSA-N
MW249.40 g/mol
LogP3.10
Rot. Bonds9

About (2R)-1-(dimethylamino)-8-phenyloctan-2-ol

(2R)-1-(dimethylamino)-8-phenyloctan-2-ol (PubChem CID 71463402) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (2R)-1-(dimethylamino)-8-phenyloctan-2-ol.

Molecular Properties

Compound Name(2R)-1-(dimethylamino)-8-phenyloctan-2-ol
PubChem CID71463402
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(2R)-1-(dimethylamino)-8-phenyloctan-2-ol
SMILESCN(C)C[C@H](O)CCCCCCc1ccccc1
InChIInChI=1S/C16H27NO/c1-17(2)14-16(18)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,16,18H,3-4,6,9-10,13-14H2,1-2H3/t16-/m1/s1
InChIKeyWAASHIILHROFCW-MRXNPFEDSA-N
XLogP3.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(dimethylamino)-8-phenyloctan-2-ol?
The IUPAC name of (2R)-1-(dimethylamino)-8-phenyloctan-2-ol (CID 71463402) is (2R)-1-(dimethylamino)-8-phenyloctan-2-ol.
What is the SMILES notation for (2R)-1-(dimethylamino)-8-phenyloctan-2-ol?
The canonical SMILES for (2R)-1-(dimethylamino)-8-phenyloctan-2-ol is CN(C)C[C@H](O)CCCCCCc1ccccc1.
What is the InChIKey of (2R)-1-(dimethylamino)-8-phenyloctan-2-ol?
The InChIKey is WAASHIILHROFCW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27NO/c1-17(2)14-16(18)13-9-4-3-6-10-15-11-7-5-8-12-15/h5,7-8,11-12,16,18H,3-4,6,9-10,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-(dimethylamino)-8-phenyloctan-2-ol?
(2R)-1-(dimethylamino)-8-phenyloctan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(dimethylamino)-8-phenyloctan-2-ol is sourced from PubChem (CID 71463402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).